(2R)-4-[(4-fluorophenyl)amino]-4-oxidanylidene-2-piperidin-1-ium-1-yl-butanoate

Systemtic Name: (2R)-4-[(4-fluorophenyl)amino]-4-oxidanylidene-2-piperidin-1-ium-1-yl-butanoate Openeye Name: (2R)-4-(4-fluoroanilino)-4-oxo-2-piperidin-1-ium-1-yl-butanoate CAS Name: (2R)-4-(4-fluoroanilino)-4-oxo-2-(1-piperidin-1-iumyl)butanoate IUPAC Name: (2R)-4-(4-fluoroanilino)-4-oxo-2-piperidin-1-ium-1-ylbutanoate Traditional Name: (2R)-4-(4-fluoroanilino)-4-keto-2-piperidin-1-ium-1-yl-butyrate Formula: C15H19FN2O3 MolecularWeight: 294.321363

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CC(=O)NC2=CC=C(C=C2)F)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)[C@H](CC(=O)NC2=CC=C(C=C2)F)C(=O)[O-]

InChI

InChI=1S/C15H19FN2O3/c16-11-4-6-12(7-5-11)17-14(19)10-13(15(20)21)18-8-2-1-3-9-18/h4-7,13H,1-3,8-10H2,(H,17,19)(H,20,21)/t13-/m1/s1